# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb44567 # _entry.id spkb44567 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LEU 2 1 n SER 3 1 n SER 4 1 n TRP 5 1 n VAL 6 1 n ARG 7 1 n CYS 8 1 n LEU 9 1 n GLY 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n PHE 14 1 n LEU 15 1 n ALA 16 1 n SER 17 1 n VAL 18 1 n ALA 19 1 n GLN 20 1 n ALA 21 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-06 23:11:41)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 92.92 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 84.48 1 1 A LEU 2 2 89.11 1 2 A SER 3 2 93.52 1 3 A SER 4 2 94.54 1 4 A TRP 5 2 91.55 1 5 A VAL 6 2 97.03 1 6 A ARG 7 2 89.07 1 7 A CYS 8 2 96.81 1 8 A LEU 9 2 94.70 1 9 A GLY 10 2 97.56 1 10 A ALA 11 2 97.69 1 11 A LEU 12 2 95.28 1 12 A LEU 13 2 96.08 1 13 A PHE 14 2 94.88 1 14 A LEU 15 2 94.96 1 15 A ALA 16 2 97.43 1 16 A SER 17 2 95.53 1 17 A VAL 18 2 96.21 1 18 A ALA 19 2 97.21 1 19 A GLN 20 2 85.19 1 20 A ALA 21 2 83.29 1 21 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LEU . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n ALA . 21 A 21 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -8.531 11.826 12.302 1.00 90.59 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.746 10.571 12.283 1.00 92.22 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.270 10.240 10.867 1.00 93.76 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.923 9.497 10.141 1.00 91.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.605 9.426 12.813 1.00 86.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.697 9.448 14.327 1.00 79.04 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.652 8.060 14.944 1.00 76.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.299 8.183 16.689 1.00 65.91 1 A 1 ATOM 9 N N . LEU A 1 2 ? -6.143 10.797 10.466 1.00 92.01 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -5.581 10.561 9.135 1.00 93.90 2 A 1 ATOM 11 C C . LEU A 1 2 ? -4.291 9.745 9.204 1.00 95.64 2 A 1 ATOM 12 O O . LEU A 1 2 ? -3.694 9.440 8.172 1.00 94.38 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -5.321 11.906 8.459 1.00 92.09 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -6.573 12.560 7.897 1.00 85.67 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -6.894 13.846 8.656 1.00 80.58 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -6.387 12.856 6.417 1.00 78.63 2 A 1 ATOM 17 N N . SER A 1 3 ? -3.871 9.393 10.398 1.00 96.25 3 A 1 ATOM 18 C CA . SER A 1 3 ? -2.645 8.610 10.580 1.00 96.44 3 A 1 ATOM 19 C C . SER A 1 3 ? -2.798 7.204 10.007 1.00 96.84 3 A 1 ATOM 20 O O . SER A 1 3 ? -1.905 6.691 9.337 1.00 95.46 3 A 1 ATOM 21 C CB . SER A 1 3 ? -2.285 8.533 12.059 1.00 94.48 3 A 1 ATOM 22 O OG . SER A 1 3 ? -1.253 9.440 12.372 1.00 81.66 3 A 1 ATOM 23 N N . SER A 1 4 ? -3.943 6.590 10.268 1.00 96.43 4 A 1 ATOM 24 C CA . SER A 1 4 ? -4.221 5.238 9.773 1.00 96.94 4 A 1 ATOM 25 C C . SER A 1 4 ? -4.372 5.224 8.255 1.00 97.56 4 A 1 ATOM 26 O O . SER A 1 4 ? -3.917 4.301 7.579 1.00 96.71 4 A 1 ATOM 27 C CB . SER A 1 4 ? -5.485 4.697 10.429 1.00 95.56 4 A 1 ATOM 28 O OG . SER A 1 4 ? -5.401 3.301 10.582 1.00 84.06 4 A 1 ATOM 29 N N . TRP A 1 5 ? -5.017 6.257 7.716 1.00 96.51 5 A 1 ATOM 30 C CA . TRP A 1 5 ? -5.234 6.367 6.276 1.00 96.97 5 A 1 ATOM 31 C C . TRP A 1 5 ? -3.916 6.550 5.535 1.00 97.63 5 A 1 ATOM 32 O O . TRP A 1 5 ? -3.619 5.829 4.588 1.00 97.29 5 A 1 ATOM 33 C CB . TRP A 1 5 ? -6.162 7.550 5.981 1.00 96.39 5 A 1 ATOM 34 C CG . TRP A 1 5 ? -7.528 7.112 5.560 1.00 93.34 5 A 1 ATOM 35 C CD1 . TRP A 1 5 ? -8.709 7.463 6.134 1.00 87.82 5 A 1 ATOM 36 C CD2 . TRP A 1 5 ? -7.865 6.252 4.450 1.00 91.74 5 A 1 ATOM 37 N NE1 . TRP A 1 5 ? -9.751 6.879 5.455 1.00 87.53 5 A 1 ATOM 38 C CE2 . TRP A 1 5 ? -9.269 6.124 4.417 1.00 91.55 5 A 1 ATOM 39 C CE3 . TRP A 1 5 ? -7.119 5.584 3.481 1.00 87.71 5 A 1 ATOM 40 C CZ2 . TRP A 1 5 ? -9.922 5.351 3.451 1.00 88.75 5 A 1 ATOM 41 C CZ3 . TRP A 1 5 ? -7.772 4.813 2.520 1.00 83.84 5 A 1 ATOM 42 C CH2 . TRP A 1 5 ? -9.160 4.700 2.514 1.00 84.67 5 A 1 ATOM 43 N N . VAL A 1 6 ? -3.138 7.510 5.964 1.00 98.00 6 A 1 ATOM 44 C CA . VAL A 1 6 ? -1.859 7.801 5.310 1.00 98.08 6 A 1 ATOM 45 C C . VAL A 1 6 ? -0.887 6.636 5.455 1.00 98.09 6 A 1 ATOM 46 O O . VAL A 1 6 ? -0.079 6.378 4.563 1.00 97.71 6 A 1 ATOM 47 C CB . VAL A 1 6 ? -1.236 9.085 5.888 1.00 97.72 6 A 1 ATOM 48 C CG1 . VAL A 1 6 ? -0.689 8.855 7.288 1.00 94.68 6 A 1 ATOM 49 C CG2 . VAL A 1 6 ? -0.141 9.593 4.972 1.00 94.90 6 A 1 ATOM 50 N N . ARG A 1 7 ? -0.959 5.941 6.569 1.00 97.36 7 A 1 ATOM 51 C CA . ARG A 1 7 ? -0.080 4.799 6.818 1.00 97.29 7 A 1 ATOM 52 C C . ARG A 1 7 ? -0.467 3.613 5.946 1.00 97.62 7 A 1 ATOM 53 O O . ARG A 1 7 ? 0.395 2.966 5.354 1.00 97.32 7 A 1 ATOM 54 C CB . ARG A 1 7 ? -0.140 4.397 8.293 1.00 96.72 7 A 1 ATOM 55 C CG . ARG A 1 7 ? 1.102 4.835 9.044 1.00 90.10 7 A 1 ATOM 56 C CD . ARG A 1 7 ? 1.020 4.496 10.514 1.00 88.91 7 A 1 ATOM 57 N NE . ARG A 1 7 ? 2.363 4.456 11.096 1.00 84.50 7 A 1 ATOM 58 C CZ . ARG A 1 7 ? 3.165 3.401 11.011 1.00 80.70 7 A 1 ATOM 59 N NH1 . ARG A 1 7 ? 2.769 2.308 10.386 1.00 73.44 7 A 1 ATOM 60 N NH2 . ARG A 1 7 ? 4.364 3.445 11.557 1.00 75.76 7 A 1 ATOM 61 N N . CYS A 1 8 ? -1.749 3.336 5.857 1.00 97.91 8 A 1 ATOM 62 C CA . CYS A 1 8 ? -2.245 2.233 5.040 1.00 98.03 8 A 1 ATOM 63 C C . CYS A 1 8 ? -1.974 2.481 3.556 1.00 98.20 8 A 1 ATOM 64 O O . CYS A 1 8 ? -1.497 1.599 2.849 1.00 97.85 8 A 1 ATOM 65 C CB . CYS A 1 8 ? -3.745 2.045 5.273 1.00 97.65 8 A 1 ATOM 66 S SG . CYS A 1 8 ? -4.086 0.745 6.489 1.00 91.24 8 A 1 ATOM 67 N N . LEU A 1 9 ? -2.281 3.678 3.102 1.00 97.23 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -2.065 4.033 1.699 1.00 97.45 9 A 1 ATOM 69 C C . LEU A 1 9 ? -0.583 4.014 1.344 1.00 97.83 9 A 1 ATOM 70 O O . LEU A 1 9 ? -0.191 3.483 0.305 1.00 97.76 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -2.651 5.422 1.432 1.00 97.33 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -4.061 5.381 0.853 1.00 92.69 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? -4.840 6.630 1.240 1.00 88.46 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -3.991 5.251 -0.656 1.00 88.85 9 A 1 ATOM 75 N N . GLY A 1 10 ? 0.227 4.584 2.203 1.00 97.43 10 A 1 ATOM 76 C CA . GLY A 1 10 ? 1.670 4.613 1.974 1.00 97.30 10 A 1 ATOM 77 C C . GLY A 1 10 ? 2.268 3.222 1.933 1.00 97.83 10 A 1 ATOM 78 O O . GLY A 1 10 ? 3.092 2.912 1.073 1.00 97.70 10 A 1 ATOM 79 N N . ALA A 1 11 ? 1.847 2.377 2.853 1.00 97.63 11 A 1 ATOM 80 C CA . ALA A 1 11 ? 2.339 1.001 2.918 1.00 97.74 11 A 1 ATOM 81 C C . ALA A 1 11 ? 1.918 0.211 1.682 1.00 98.13 11 A 1 ATOM 82 O O . ALA A 1 11 ? 2.685 -0.603 1.170 1.00 97.70 11 A 1 ATOM 83 C CB . ALA A 1 11 ? 1.805 0.325 4.175 1.00 97.25 11 A 1 ATOM 84 N N . LEU A 1 12 ? 0.701 0.453 1.218 1.00 97.30 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 0.179 -0.237 0.041 1.00 97.48 12 A 1 ATOM 86 C C . LEU A 1 12 ? 0.987 0.123 -1.200 1.00 97.82 12 A 1 ATOM 87 O O . LEU A 1 12 ? 1.351 -0.752 -1.992 1.00 97.75 12 A 1 ATOM 88 C CB . LEU A 1 12 ? -1.293 0.131 -0.158 1.00 97.45 12 A 1 ATOM 89 C CG . LEU A 1 12 ? -2.210 -1.076 -0.308 1.00 93.77 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? -3.577 -0.784 0.307 1.00 90.24 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? -2.363 -1.453 -1.763 1.00 90.45 12 A 1 ATOM 92 N N . LEU A 1 13 ? 1.268 1.398 -1.368 1.00 97.68 13 A 1 ATOM 93 C CA . LEU A 1 13 ? 2.047 1.866 -2.514 1.00 97.66 13 A 1 ATOM 94 C C . LEU A 1 13 ? 3.470 1.320 -2.467 1.00 97.83 13 A 1 ATOM 95 O O . LEU A 1 13 ? 4.021 0.904 -3.488 1.00 97.77 13 A 1 ATOM 96 C CB . LEU A 1 13 ? 2.074 3.397 -2.524 1.00 97.64 13 A 1 ATOM 97 C CG . LEU A 1 13 ? 0.990 4.022 -3.401 1.00 94.98 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? 0.771 5.476 -3.013 1.00 92.41 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? 1.395 3.926 -4.864 1.00 92.66 13 A 1 ATOM 100 N N . PHE A 1 14 ? 4.044 1.321 -1.290 1.00 97.37 14 A 1 ATOM 101 C CA . PHE A 1 14 ? 5.402 0.813 -1.108 1.00 97.14 14 A 1 ATOM 102 C C . PHE A 1 14 ? 5.470 -0.672 -1.443 1.00 97.50 14 A 1 ATOM 103 O O . PHE A 1 14 ? 6.378 -1.119 -2.143 1.00 97.20 14 A 1 ATOM 104 C CB . PHE A 1 14 ? 5.835 1.043 0.335 1.00 96.80 14 A 1 ATOM 105 C CG . PHE A 1 14 ? 7.286 0.710 0.561 1.00 95.11 14 A 1 ATOM 106 C CD1 . PHE A 1 14 ? 8.279 1.590 0.161 1.00 93.15 14 A 1 ATOM 107 C CD2 . PHE A 1 14 ? 7.647 -0.483 1.165 1.00 93.43 14 A 1 ATOM 108 C CE1 . PHE A 1 14 ? 9.617 1.288 0.363 1.00 91.81 14 A 1 ATOM 109 C CE2 . PHE A 1 14 ? 8.987 -0.793 1.365 1.00 91.88 14 A 1 ATOM 110 C CZ . PHE A 1 14 ? 9.971 0.092 0.963 1.00 92.29 14 A 1 ATOM 111 N N . LEU A 1 15 ? 4.505 -1.430 -0.947 1.00 97.47 15 A 1 ATOM 112 C CA . LEU A 1 15 ? 4.455 -2.866 -1.208 1.00 97.17 15 A 1 ATOM 113 C C . LEU A 1 15 ? 4.250 -3.143 -2.689 1.00 97.45 15 A 1 ATOM 114 O O . LEU A 1 15 ? 4.877 -4.042 -3.254 1.00 97.19 15 A 1 ATOM 115 C CB . LEU A 1 15 ? 3.319 -3.496 -0.399 1.00 96.73 15 A 1 ATOM 116 C CG . LEU A 1 15 ? 3.773 -4.078 0.938 1.00 92.92 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? 2.613 -4.140 1.921 1.00 90.48 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? 4.356 -5.466 0.723 1.00 90.30 15 A 1 ATOM 119 N N . ALA A 1 16 ? 3.376 -2.375 -3.324 1.00 97.79 16 A 1 ATOM 120 C CA . ALA A 1 16 ? 3.102 -2.538 -4.750 1.00 97.47 16 A 1 ATOM 121 C C . ALA A 1 16 ? 4.355 -2.262 -5.577 1.00 97.64 16 A 1 ATOM 122 O O . ALA A 1 16 ? 4.612 -2.939 -6.572 1.00 97.13 16 A 1 ATOM 123 C CB . ALA A 1 16 ? 1.980 -1.596 -5.169 1.00 97.13 16 A 1 ATOM 124 N N . SER A 1 17 ? 5.129 -1.280 -5.167 1.00 97.75 17 A 1 ATOM 125 C CA . SER A 1 17 ? 6.360 -0.916 -5.866 1.00 97.55 17 A 1 ATOM 126 C C . SER A 1 17 ? 7.414 -2.004 -5.716 1.00 97.73 17 A 1 ATOM 127 O O . SER A 1 17 ? 8.089 -2.368 -6.680 1.00 96.94 17 A 1 ATOM 128 C CB . SER A 1 17 ? 6.895 0.405 -5.322 1.00 96.77 17 A 1 ATOM 129 O OG . SER A 1 17 ? 7.879 0.932 -6.171 1.00 86.43 17 A 1 ATOM 130 N N . VAL A 1 18 ? 7.547 -2.528 -4.513 1.00 97.98 18 A 1 ATOM 131 C CA . VAL A 1 18 ? 8.522 -3.586 -4.236 1.00 97.58 18 A 1 ATOM 132 C C . VAL A 1 18 ? 8.107 -4.894 -4.898 1.00 97.70 18 A 1 ATOM 133 O O . VAL A 1 18 ? 8.948 -5.625 -5.428 1.00 96.99 18 A 1 ATOM 134 C CB . VAL A 1 18 ? 8.674 -3.795 -2.721 1.00 96.58 18 A 1 ATOM 135 C CG1 . VAL A 1 18 ? 9.604 -4.961 -2.429 1.00 92.97 18 A 1 ATOM 136 C CG2 . VAL A 1 18 ? 9.203 -2.534 -2.062 1.00 93.66 18 A 1 ATOM 137 N N . ALA A 1 19 ? 6.822 -5.192 -4.856 1.00 97.59 19 A 1 ATOM 138 C CA . ALA A 1 19 ? 6.299 -6.418 -5.454 1.00 97.42 19 A 1 ATOM 139 C C . ALA A 1 19 ? 6.483 -6.414 -6.966 1.00 97.56 19 A 1 ATOM 140 O O . ALA A 1 19 ? 6.667 -7.465 -7.581 1.00 96.68 19 A 1 ATOM 141 C CB . ALA A 1 19 ? 4.823 -6.575 -5.110 1.00 96.79 19 A 1 ATOM 142 N N . GLN A 1 20 ? 6.430 -5.241 -7.559 1.00 94.54 20 A 1 ATOM 143 C CA . GLN A 1 20 ? 6.588 -5.092 -9.008 1.00 92.83 20 A 1 ATOM 144 C C . GLN A 1 20 ? 8.058 -4.883 -9.376 1.00 92.48 20 A 1 ATOM 145 O O . GLN A 1 20 ? 8.418 -3.938 -10.070 1.00 87.44 20 A 1 ATOM 146 C CB . GLN A 1 20 ? 5.750 -3.907 -9.497 1.00 90.16 20 A 1 ATOM 147 C CG . GLN A 1 20 ? 5.515 -3.949 -10.997 1.00 82.95 20 A 1 ATOM 148 C CD . GLN A 1 20 ? 4.026 -3.981 -11.341 1.00 80.54 20 A 1 ATOM 149 O OE1 . GLN A 1 20 ? 3.173 -3.762 -10.493 1.00 74.07 20 A 1 ATOM 150 N NE2 . GLN A 1 20 ? 3.711 -4.251 -12.594 1.00 71.67 20 A 1 ATOM 151 N N . ALA A 1 21 ? 8.899 -5.788 -8.910 1.00 91.45 21 A 1 ATOM 152 C CA . ALA A 1 21 ? 10.326 -5.695 -9.190 1.00 88.86 21 A 1 ATOM 153 C C . ALA A 1 21 ? 10.624 -5.984 -10.666 1.00 85.83 21 A 1 ATOM 154 O O . ALA A 1 21 ? 9.858 -6.724 -11.301 1.00 78.68 21 A 1 ATOM 155 C CB . ALA A 1 21 ? 11.094 -6.662 -8.295 1.00 82.55 21 A 1 ATOM 156 O OXT . ALA A 1 21 ? 11.627 -5.489 -11.191 1.00 72.39 21 A 1 #